Chemical Properties of Succinic acid, isobutyl 2,3,4,5-tetrafluorobenzyl ester

InChI

InChI=1S/C15H16F4O4/c1-8(2)6-22-11(20)3-4-12(21)23-7-9-5-10(16)14(18)15(19)13(9)17/h5,8H,3-4,6-7H2,1-2H3

InChI Key

PGRVKLZCUDUNJO-UHFFFAOYSA-N

Formula

C15H16F4O4

SMILES

CC(C)COC(=O)CCC(=O)OCc1cc(F)c(F)c(F)c1F

Molecular Weight¹

336.28

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.7980		Relay (1.0) Calculated Property
ΔfG°	-1100.21	kJ/mol	Joback Calculated Property
ΔfH°gas	-1411.04	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	41.46	kJ/mol	Joback Calculated Property
ΔvapH°	81.70	kJ/mol	Relay (1.0) Calculated Property
IE	9.28	eV	Relay (1.0) Calculated Property
log10WS	-5.14		Relay (1.0) Calculated Property
logPoct/wat	3.266		Crippen Calculated Property
McVol	220.410	ml/mol	McGowan Calculated Property
Pc	1643.09	kPa	Joback Calculated Property
Inp	[1807.00; 1807.00]
Inp	1807.00		NIST
Inp	1807.00		NIST
Tboil	563.24	K	Relay (1.0) Calculated Property
Tc	738.41	K	Relay (1.0) Calculated Property
Tfus	294.52	K	Relay (1.0) Calculated Property
Vc	0.827	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[622.65; 687.30]	J/mol×K	[738.42; 922.72]
Cp,gas	622.65	J/mol×K	738.42	Joback Calculated Property
Cp,gas	635.29	J/mol×K	769.14	Joback Calculated Property
Cp,gas	647.19	J/mol×K	799.85	Joback Calculated Property
Cp,gas	658.34	J/mol×K	830.57	Joback Calculated Property
Cp,gas	668.74	J/mol×K	861.28	Joback Calculated Property
Cp,gas	678.40	J/mol×K	892.00	Joback Calculated Property
Cp,gas	687.30	J/mol×K	922.72	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, isobutyl 2,3,4,5-tetrafluorobenzyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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